Related papers: First-principles modelling of molecular single-ele…
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…
We explore multi-terminal quantum transport through a benzene molecule threaded by an Aharonov-Bohm flux $\phi$. A simple tight-binding model is used to describe the system and all the calculations are done based on the Green's function…
A first-principles approach based on Density Functional Theory and Non-Equilibrium Green's functions is used to study the molecular transport system consisting of benzenedithiolate connected with monoatomic gold and platinum electrodes.…
Single-electron transistors have been proposed to be used as a read-out device for Cooper pair charge qubits. Here we show that a coupled superconducting transistor at a threshold voltage is much more effective in measuring the state of a…
We report electronic transport experiments on a graphene single electron transistor. The device consists of a graphene island connected to source and drain electrodes via two narrow graphene constrictions. It is electrostatically tunable by…
The Coulomb gap in a donor-acceptor model with finite charge transfer energy $\Delta$ describing the electronic system on the dielectric side of the metal-insulator transition is investigated by means of computer simulations on two- and…
We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged…
We have measured individual tunneling events and Coulomb step shapes in single-electron boxes with opaque superconductor-normal metal tunnel junctions. We observe anomalous broadening of the Coulomb step with decreasing temperature in a…
We model a Superconducting Single-Electron Transistor operating by repulsive interactions. The device consists of a ring of Hubbard clusters, placed between electrodes and capacitively coupled to a gate potential. In each cluster, a pair of…
It is shown that the noise-limited charge sensitivity of a single-electron transistor using superconductors (of either $SISIS$ or $NISIN$ type) operating near the threshold of quasiparticle tunneling, can be considerably higher than that of…
We present the current-density functional theory for the superconductor immersed in the magnetic field. The order parameter of the superconducting state, transverse component of the paramagnetic current-density, and electron density are…
We study a one dimensional Coulomb system, where two charged colloids are neutralized by a collection of point counterions, with global neutrality. Temperature being given, two situations are addressed: the colloids are either kept at fixed…
First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational…
Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one component plasma (OCP) via the Green-Kubo formalism over a broad range of Coulomb coupling strength, $0.1\le\Gamma\le180$. These…
The orientational dependence of charge carrier mobilities in organic semiconductor crystals and the correlation with the crystal structure are investigated by means of quantum chemical first principles calculations combined with a model…
The problem of electron transport by means of a dumbbell shaped shuttle in strong Coulomb blockade regime is solved. The electrons may be shuttled only in the cotunneling regime during the time spans when both shoulders of the shuttle…
Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…
Single electron charging effects in a surface-gated InSb/AlInSb QW structure are reported. This material, due to its large g-factor and light effective mass, offers considerable advantages over more commonly used materials, such as GaAs,…
Strong confinement of charges in few electron systems such as in atoms, molecules and quantum dots leads to a spectrum of discrete energy levels that are often shared by several degenerate quantum states. Since the electronic structure is…
A room temperature single-electron transistor based on the single cluster molecule has been demonstrated for the first time. Scanning tunneling microscope tip was used to study the transport via single carboran cluster molecule…